Geometry & MOs

Info

ID:	33555
PubChem CID:	7886961
Reduced:	ClN2O2H17C21 (1)
Stoich.:	AB2C2D17E21 (1)
Weight, g/mol:	360.123383
ΔH_f, kcal/mol:	-29.44
Dipole, Da:	3.93
IP(EA), eV:	-9.14(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)N(C(=O)N1)CC2=CC=C(C=C2)Cl)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations